CID 736557

2-(1h-pyrrol-1-yl)pyridine

Structural Information

Molecular Formula
C9H8N2
SMILES
C1=CC=NC(=C1)N2C=CC=C2
InChI
InChI=1S/C9H8N2/c1-2-6-10-9(5-1)11-7-3-4-8-11/h1-8H
InChIKey
AWOGYKQLZGNICG-UHFFFAOYSA-N
Compound name
2-pyrrol-1-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

604
Patents

144.06874 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.076016 126.8
[M+Na]+ 167.057958 135.6
[M-H]- 143.061464 131.0
[M+NH4]+ 162.102563 147.0
[M+K]+ 183.031898 133.0
[M+H-H2O]+ 127.066000 118.9
[M+HCOO]- 189.066941 151.1
[M+CH3COO]- 203.082591 141.1
[M+Na-2H]- 165.043406 135.1
[M]+ 144.06819142 125.9
[M]- 144.06928858 125.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.